2-(7-methylnaphthalen-2-yl)propanal

C14H14O — CID 21414815

IUPAC2-(7-methylnaphthalen-2-yl)propanal
SMILESCc1ccc2ccc(C(C)C=O)cc2c1
InChIInChI=1S/C14H14O/c1-10-3-4-12-5-6-13(11(2)9-15)8-14(12)7-10/h3-9,11H,1-2H3
InChIKeyJTYPFKARUYOCHO-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.45
Rot. Bonds2

About 2-(7-methylnaphthalen-2-yl)propanal

2-(7-methylnaphthalen-2-yl)propanal (PubChem CID 21414815) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(7-methylnaphthalen-2-yl)propanal.

Molecular Properties

Compound Name2-(7-methylnaphthalen-2-yl)propanal
PubChem CID21414815
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2-(7-methylnaphthalen-2-yl)propanal
SMILESCc1ccc2ccc(C(C)C=O)cc2c1
InChIInChI=1S/C14H14O/c1-10-3-4-12-5-6-13(11(2)9-15)8-14(12)7-10/h3-9,11H,1-2H3
InChIKeyJTYPFKARUYOCHO-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
1-(6-methylnaphthalen-2-yl)ethanethiol
CID 116866764
2-(4-amino-3-methylphenyl)propanal
CID 88582796
2-(4-chloro-3-methylphenyl)propanal
CID 57241327
2-(4-methyl-3-sulfanylphenyl)propanal
CID 134639544
(2R)-2-(4-bromophenyl)propanal
CID 39243198
2-butan-2-yl-9-methylpentacene
CID 20764702
2,9-dimethylpentacene
CID 11460950
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
2,9-di(propan-2-yl)pentacene
CID 153380534
2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
CID 123479998

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnaphthalen-2-yl)propanal?
The IUPAC name of 2-(7-methylnaphthalen-2-yl)propanal (CID 21414815) is 2-(7-methylnaphthalen-2-yl)propanal.
What is the SMILES notation for 2-(7-methylnaphthalen-2-yl)propanal?
The canonical SMILES for 2-(7-methylnaphthalen-2-yl)propanal is Cc1ccc2ccc(C(C)C=O)cc2c1.
What is the InChIKey of 2-(7-methylnaphthalen-2-yl)propanal?
The InChIKey is JTYPFKARUYOCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-10-3-4-12-5-6-13(11(2)9-15)8-14(12)7-10/h3-9,11H,1-2H3.
What are the key properties of 2-(7-methylnaphthalen-2-yl)propanal?
2-(7-methylnaphthalen-2-yl)propanal has a molecular weight of 198.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnaphthalen-2-yl)propanal is sourced from PubChem (CID 21414815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).